7-[(3-chloranyl-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-[(3-chloranyl-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-propyl-purine-2,6-dione Openeye Name: 7-[(3-chloro-4-methoxy-phenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-propyl-purine-2,6-dione CAS Name: 7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-propylpurine-2,6-dione IUPAC Name: 7-[(3-chloro-4-methoxyphenyl)methyl]-8-(cyclohexylamino)-1-ethyl-3-propylpurine-2,6-dione Traditional Name: 7-(3-chloro-4-methoxy-benzyl)-8-(cyclohexylamino)-1-ethyl-3-propyl-xanthine Formula: C24H32ClN5O3 MolecularWeight: 473.99558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C24H32ClN5O3/c1-4-13-29-21-20(22(31)28(5-2)24(29)32)30(15-16-11-12-19(33-3)18(25)14-16)23(27-21)26-17-9-7-6-8-10-17/h11-12,14,17H,4-10,13,15H2,1-3H3,(H,26,27)